(E)-N-methylsulfonyl-3-phenylprop-2-enamide

C10H11NO3S — CID 20660189

IUPAC(E)-N-methylsulfonyl-3-phenylprop-2-enamide
SMILESCS(=O)(=O)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C10H11NO3S/c1-15(13,14)11-10(12)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,11,12)/b8-7+
InChIKeySUQDJTRDTNAVJK-BQYQJAHWSA-N
MW225.27 g/mol
LogP0.78
Rot. Bonds3

About (E)-N-methylsulfonyl-3-phenylprop-2-enamide

(E)-N-methylsulfonyl-3-phenylprop-2-enamide (PubChem CID 20660189) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is (E)-N-methylsulfonyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-methylsulfonyl-3-phenylprop-2-enamide
PubChem CID20660189
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name(E)-N-methylsulfonyl-3-phenylprop-2-enamide
SMILESCS(=O)(=O)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C10H11NO3S/c1-15(13,14)11-10(12)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,11,12)/b8-7+
InChIKeySUQDJTRDTNAVJK-BQYQJAHWSA-N
XLogP0.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-methylsulfonyl-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-methylsulfonyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-methylsulfonyl-3-phenylprop-2-enamide (CID 20660189) is (E)-N-methylsulfonyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-methylsulfonyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-methylsulfonyl-3-phenylprop-2-enamide is CS(=O)(=O)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-methylsulfonyl-3-phenylprop-2-enamide?
The InChIKey is SUQDJTRDTNAVJK-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-15(13,14)11-10(12)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,11,12)/b8-7+.
What are the key properties of (E)-N-methylsulfonyl-3-phenylprop-2-enamide?
(E)-N-methylsulfonyl-3-phenylprop-2-enamide has a molecular weight of 225.27 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methylsulfonyl-3-phenylprop-2-enamide is sourced from PubChem (CID 20660189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).